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Structure-activity relationship studies of CNS agents. Part III. On the bioactive conformations of 1-arylpiperazines
J L Mokrosz1, B Duszyńska, A Bojarski
1Department of Organic Chemistry, Polish Academy of Sciences, Kraków.
Polish Journal of Pharmacology and Pharmacy
|January 1, 1992
Abstract:
Quantitative structure-activity relationships (QSAR) were analyzed for 5-HT1 and 5-HT1A affinity data of two series of 1-arylpiperazines. A conformational analysis of the investigated derivatives was performed using CNDO/2 method. It was shown that some 1-arylpiperazines adopt the bioactive conformations, while the others, like 1-(2-alkylphenyl)-piperazines, should exist in the twisted conformations at the receptor sites.